6-[6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-4-oxoquinazolin-3-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide

C24H24N8O2 — CID 166763673

IUPAC6-[6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-4-oxoquinazolin-3-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide
SMILES[H]/N=C(/c1cccc(-n2cnc3cc(O)c(-n4cnc(C5CC5)c4)cc3c2=O)n1)N(/C=N/[H])C(C)C
InChIInChI=1S/C24H24N8O2/c1-14(2)31(11-25)23(26)17-4-3-5-22(29-17)32-13-28-18-9-21(33)20(8-16(18)24(32)34)30-10-19(27-12-30)15-6-7-15/h3-5,8-15,25-26,33H,6-7H2,1-2H3/b25-11+,26-23-
InChIKeyCNLXYGDPVPCZEH-ABDMDBIXSA-N
MW456.51 g/mol
LogP3.19
Rot. Bonds6

About 6-[6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-4-oxoquinazolin-3-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide

6-[6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-4-oxoquinazolin-3-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide (PubChem CID 166763673) has the molecular formula C24H24N8O2 and a molecular weight of 456.51 g/mol. Its IUPAC name is 6-[6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-4-oxoquinazolin-3-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide.

Molecular Properties

Compound Name6-[6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-4-oxoquinazolin-3-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide
PubChem CID166763673
Molecular FormulaC24H24N8O2
Molecular Weight456.51 g/mol
Exact Mass456.20
IUPAC Name6-[6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-4-oxoquinazolin-3-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide
SMILES[H]/N=C(/c1cccc(-n2cnc3cc(O)c(-n4cnc(C5CC5)c4)cc3c2=O)n1)N(/C=N/[H])C(C)C
InChIInChI=1S/C24H24N8O2/c1-14(2)31(11-25)23(26)17-4-3-5-22(29-17)32-13-28-18-9-21(33)20(8-16(18)24(32)34)30-10-19(27-12-30)15-6-7-15/h3-5,8-15,25-26,33H,6-7H2,1-2H3/b25-11+,26-23-
InChIKeyCNLXYGDPVPCZEH-ABDMDBIXSA-N
XLogP3.19
TPSA136.77 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-4-oxoquinazolin-3-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide?
The IUPAC name of 6-[6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-4-oxoquinazolin-3-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide (CID 166763673) is 6-[6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-4-oxoquinazolin-3-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide.
What is the SMILES notation for 6-[6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-4-oxoquinazolin-3-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide?
The canonical SMILES for 6-[6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-4-oxoquinazolin-3-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide is [H]/N=C(/c1cccc(-n2cnc3cc(O)c(-n4cnc(C5CC5)c4)cc3c2=O)n1)N(/C=N/[H])C(C)C.
What is the InChIKey of 6-[6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-4-oxoquinazolin-3-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide?
The InChIKey is CNLXYGDPVPCZEH-ABDMDBIXSA-N. The full InChI is InChI=1S/C24H24N8O2/c1-14(2)31(11-25)23(26)17-4-3-5-22(29-17)32-13-28-18-9-21(33)20(8-16(18)24(32)34)30-10-19(27-12-30)15-6-7-15/h3-5,8-15,25-26,33H,6-7H2,1-2H3/b25-11+,26-23-.
What are the key properties of 6-[6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-4-oxoquinazolin-3-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide?
6-[6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-4-oxoquinazolin-3-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide has a molecular weight of 456.51 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4-cyclopropylimidazol-1-yl)-7-hydroxy-4-oxoquinazolin-3-yl]-N-methanimidoyl-N-propan-2-ylpyridine-2-carboximidamide is sourced from PubChem (CID 166763673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).